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canSAR504575
FEATURES
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NAMES
    SMILES
    CC(C)(Cc1ccccc1C#N)C1OCC(C/C=C\CCC(=O)O)C(c2cccnc2)O1
    InChI
    InChI=1S/C26H30N2O4/c1-26(2,15-19-9-6-7-10-20(19)16-27)25-31-18-22(11-4-3-5-13-23(29)30)24(32-25)21-12-8-14-28-17-21/h3-4,6-10,12,14,17,22,24-25H,5,11,13,15,18H2,1-2H3,(H,29,30)/b4-3-
    MOLECULAR FORMULA
    C26H30N2O4
    CROSS REFERENCES
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    canSAR504575

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.22
    AlogP 5.06
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504575.